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4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanenitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanenitrile
SpectraBase Compound ID 1RkKr0F4O55
InChI InChI=1S/C11H13N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-4,6H2,1-2H3
InChIKey DJAXYTCEYBZGKN-UHFFFAOYSA-N
Mol Weight 247.26 g/mol
Molecular Formula C11H13N5O2
Exact Mass 247.106925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Ys0HKM9n3n
Name 1H-purine-7-butanenitrile, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.106924677 u
Formula C11H13N5O2
InChI InChI=1S/C11H13N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-4,6H2,1-2H3
InChIKey DJAXYTCEYBZGKN-UHFFFAOYSA-N
Molecular Weight 247.258 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12894
Solvent DMSO-d6
Source Vendor ID: NMR/10260883; Lab Info: BEV; Lab Number: BEV-0000070